2FDK

Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 9 days)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97949
Spacegroup name	P 43
Unit cell lengths	40.576, 40.576, 117.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.300
Rwork	0.171
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 2FD8
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.054	0.108
Number of reflections	8056
<I/σ(I)>	23.99	10.89
Completeness [%]	95.7	85.3
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	22-24% (w/v) PEG 3350, 10% glycerol and 200 mM sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K